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Filters: Keyword is Density functional theory and Author is Pal, Sourav [Clear All Filters]
“Density functional response approach for electric properties of molecules”, in International Conference on Computational Methods in Sciences and Engineering (ICCMSE 2005), Corinth, Greece, 2005, vol. 3, pp. 142-151.
, “Ab initio and periodic DFT investigation of hydrogen storage on light metal-decorated MOF-5”, International Journal of Hydrogen Energy, vol. 36, no. 17, pp. 10816-10827, 2011.
, “First principle investigation on the thermal stability of a golden fullerene: a case study of Au-32”, Catalysis Today, vol. 198, no. 1, pp. 106-109, 2012.
, “Photoelectrochemical splitting of water with nanocrystalline Zn1-xMnxO thin films: first-principle DFT computations supporting the systematic experimental endeavor”, International Journal of Hydrogen Energy, vol. 39, no. 8, pp. 3637-3648, 2014.
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